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Compound PDK0362

CAT: 0931-PDK0362-01Size: 200 mgDry Ice: NoHazardous: No
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CAT#:0931-PDK0362-01Size:200 mg
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CAS Number
776-75-0
Bioactivity
Compound PDK0362, with CAS No. 776-75-0, is a fragment molecule that serves as an important scaffold for molecular linking, expansion, and modification. Compound PDK0362 provides a structural basis and research tool for the design and screening of novel drug candidates, and is commonly used in drug discovery, drug synthesis, and related research.
Smiles
O=C(N1CCCCC1)C1=CC=CC=C1
Molecular Formula
C12H15NO
Molecular Weight
189.258
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Benzoylpiperidine

1-benzoylpiperidine is a member of benzamides and a N-acylpiperidine.

CAS Number776-75-0
PubChem CID69892
IUPAC Namephenyl(piperidin-1-yl)methanone
Molecular FormulaC12H15NO
Molecular Weight189.25
XLogP2.2
Topological Polar Surface Area20.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Heavy Atom Count14
Formal Charge0
Complexity190
SMILES
C1CCN(CC1)C(=O)C2=CC=CC=C2
InChI
InChI=1S/C12H15NO/c14-12(11-7-3-1-4-8-11)13-9-5-2-6-10-13/h1,3-4,7-8H,2,5-6,9-10H2
InChIKey
YXTROGRGRSPWKL-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Benzoylpiperidine
CAS: 776-75-0
CID: 69892
Formula: C12H15NO
MW: 189.25
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight189.25
XLogP32.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Exact Mass189.115364102
Monoisotopic Mass189.115364102
Topological Polar Surface Area20.3 Ų
Heavy Atom Count14
Formal Charge0
Complexity190
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

CatalogName
PDK0352-01Compound PDK0352
PDK0368-01Compound PDK0368
PDK0372-01Compound PDK0372
PDK0332-01Compound PDK0332
PDK0392-01Compound PDK0392
PDK0369-01Compound PDK0369
PDK0342-01Compound PDK0342
PDK0062-01Compound PDK0062
PDK0382-01Compound PDK0382
PDK0363-01Compound PDK0363

Alternative Products

CatalogName
ALX-550-516-M025Compound A
XXC35825-01Compound 3a
HY-14176-01Compound E
255023-01Compound 401
HY-U00358Compound 2
1898-200Compound 34
2573-5Compound 112254
MBS3613444-01Compound W
MBS3613725-01Compound 3344
MBS3613756-01Compound 23

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